(3,5,5-trimethyl-2-oxidanidyl-4H-pyrazol-2-ium-3-yl) 4-chloranylbenzoate

Systemtic Name: (3,5,5-trimethyl-2-oxidanidyl-4H-pyrazol-2-ium-3-yl) 4-chloranylbenzoate Openeye Name: (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) ester IUPAC Name: (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (3,5,5-trimethyl-2-oxido-1-pyrazolin-2-ium-3-yl) ester Formula: C13H15ClN2O3 MolecularWeight: 282.7228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC([N+](=N1)[O-])(C)OC(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1(CC([N+](=N1)[O-])(C)OC(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C13H15ClN2O3/c1-12(2)8-13(3,16(18)15-12)19-11(17)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3